TERT-BUTYLMALONONITRILE
- CAS NO.:4210-60-0
- Empirical Formula: C7H10N2
- Molecular Weight: 122.17
- MDL number: MFCD00191326
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-08 18:06:34
What is TERT-BUTYLMALONONITRILE?
The Uses of TERT-BUTYLMALONONITRILE
TERT-BUTYLMALONONITRILE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Synthesis
The reaction was carried out under nitrogen. To the solution of aluminum chloride (14.5 g, 100 mmol) in 40 mL of nitromethane was added malonodinitrile 26 (6.6 g, 100 mmol). The temperature of the reaction mixture was kept between -15 and -20 °C, and tert-butyl bromide (22 g, 160 mmol) was added over a period of 30-45 min. The reaction mixture was allowed to warm to 0-5 °C and was maintained at that temperature. The reaction was monitored by TLC; the eluent was 30% EA/hexane. More tert-butyl bromide was added to complete the reaction. The reaction was worked up after 15 h by addition of a saturated solution of sodium bicarbonate to neutralize the HBr produced. The reaction mixture was extracted with methylene chloride. The organic layer was dried over anhydrous sodium sulfate and concentrated over vacuum. The 27 obtained (8.5 g, 70% yield) can be used for the next step without purification. t-Butylmalonodinitrile 27, yield (8.5 g, 70%) 1H NMR (300 MHz, CDCl3): δ 3.42(s, H), 1.24 (s, 9H).
Properties of TERT-BUTYLMALONONITRILE
Melting point: | 84 °C |
Boiling point: | 80-85 °C(Press: 7 Torr) |
Density | 0.930±0.06 g/cm3(Predicted) |
solubility | soluble in Methanol |
form | powder to crystaline |
color | White to Orange to Green |
CAS DataBase Reference | 4210-60-0 |
Safety information for TERT-BUTYLMALONONITRILE
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for TERT-BUTYLMALONONITRILE
InChIKey | TUJPHMQZSDKRSL-UHFFFAOYSA-N |
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